[Pw_forum] fixing cell symmetry

Federico Gallino Federico_Gallino at saes-group.com
Mon Jul 11 17:19:40 CEST 2016

Dear All,

a quick question about vc-relax.

Is it possible to keep the symmetry of the cell during the optimization?

For example, if you consider a cubic cell and you introduce a defect, loosing all the
symmetry operations, is it possible to use vc-relax in order to see how the cubic cell
will expand or contract due to the defect but still keeping the cubic shape?

Thank you,

Federico Gallino

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